EXPDTA beautshotbase_TS1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called beautshotbase_TS1-scwrl ATOM 1 C ASN 7 15.679 2.666 -4.377 1.00 0.00 ATOM 2 N PHE A 8 15.726 1.733 -5.375 1.00 0.00 ATOM 3 CA PHE A 8 16.978 1.004 -5.504 1.00 0.00 ATOM 4 CB PHE A 8 16.813 -0.179 -6.461 1.00 0.00 ATOM 5 CG PHE A 8 16.642 0.223 -7.898 1.00 0.00 ATOM 6 CD1 PHE A 8 17.743 0.415 -8.714 1.00 0.00 ATOM 7 CD2 PHE A 8 15.379 0.410 -8.433 1.00 0.00 ATOM 8 CE1 PHE A 8 17.585 0.785 -10.036 1.00 0.00 ATOM 9 CE2 PHE A 8 15.222 0.780 -9.756 1.00 0.00 ATOM 10 CZ PHE A 8 16.318 0.967 -10.556 1.00 0.00 ATOM 11 O PHE A 8 19.291 1.506 -5.847 1.00 0.00 ATOM 12 C PHE A 8 18.131 1.859 -6.048 1.00 0.00 ATOM 13 N LEU A 9 17.864 2.947 -6.773 1.00 0.00 ATOM 14 CA LEU A 9 18.944 3.807 -7.285 1.00 0.00 ATOM 15 CB LEU A 9 18.364 4.994 -8.057 1.00 0.00 ATOM 16 CG LEU A 9 17.651 4.665 -9.370 1.00 0.00 ATOM 17 CD1 LEU A 9 17.009 5.911 -9.961 1.00 0.00 ATOM 18 CD2 LEU A 9 18.632 4.106 -10.390 1.00 0.00 ATOM 19 O LEU A 9 20.969 4.538 -6.235 1.00 0.00 ATOM 20 C LEU A 9 19.763 4.325 -6.101 1.00 0.00 ATOM 21 N LYS A 10 19.165 4.370 -4.906 1.00 0.00 ATOM 22 CA LYS A 10 19.955 4.626 -3.699 1.00 0.00 ATOM 23 CB LYS A 10 19.065 4.578 -2.456 1.00 0.00 ATOM 24 CG LYS A 10 18.098 5.746 -2.339 1.00 0.00 ATOM 25 CD LYS A 10 17.249 5.636 -1.083 1.00 0.00 ATOM 26 CE LYS A 10 16.266 6.791 -0.979 1.00 0.00 ATOM 27 NZ LYS A 10 15.404 6.678 0.230 1.00 0.00 ATOM 28 O LYS A 10 22.173 3.872 -3.134 1.00 0.00 ATOM 29 C LYS A 10 21.056 3.569 -3.552 1.00 0.00 ATOM 30 N CYS A 11 20.679 2.320 -3.787 1.00 0.00 ATOM 31 CA CYS A 11 21.512 1.135 -3.559 1.00 0.00 ATOM 32 CB CYS A 11 20.666 -0.138 -3.636 1.00 0.00 ATOM 33 SG CYS A 11 19.445 -0.304 -2.313 1.00 0.00 ATOM 34 O CYS A 11 23.011 -0.264 -4.626 1.00 0.00 ATOM 35 C CYS A 11 22.672 0.916 -4.552 1.00 0.00 ATOM 36 N SER A 12 22.711 1.552 -5.727 1.00 0.00 ATOM 37 CA SER A 12 23.180 0.779 -6.887 1.00 0.00 ATOM 38 CB SER A 12 22.047 0.588 -7.897 1.00 0.00 ATOM 39 OG SER A 12 21.605 1.833 -8.410 1.00 0.00 ATOM 40 O SER A 12 24.880 0.688 -8.546 1.00 0.00 ATOM 41 C SER A 12 24.337 1.385 -7.688 1.00 0.00 ATOM 42 N VAL A 13 24.858 2.566 -7.351 1.00 0.00 ATOM 43 CA VAL A 13 26.122 2.964 -7.981 1.00 0.00 ATOM 44 CB VAL A 13 25.926 4.157 -8.934 1.00 0.00 ATOM 45 CG1 VAL A 13 24.962 3.793 -10.053 1.00 0.00 ATOM 46 CG2 VAL A 13 25.361 5.353 -8.183 1.00 0.00 ATOM 47 O VAL A 13 28.365 3.063 -7.177 1.00 0.00 ATOM 48 C VAL A 13 27.191 3.386 -6.977 1.00 0.00 ATOM 49 N LYS A 14 26.761 3.724 -5.770 1.00 0.00 ATOM 50 CA LYS A 14 27.636 3.672 -4.607 1.00 0.00 ATOM 51 CB LYS A 14 27.552 4.978 -3.814 1.00 0.00 ATOM 52 CG LYS A 14 28.025 6.202 -4.582 1.00 0.00 ATOM 53 CD LYS A 14 27.969 7.451 -3.718 1.00 0.00 ATOM 54 CE LYS A 14 28.395 8.683 -4.500 1.00 0.00 ATOM 55 NZ LYS A 14 28.337 9.916 -3.668 1.00 0.00 ATOM 56 O LYS A 14 28.050 2.071 -2.909 1.00 0.00 ATOM 57 C LYS A 14 27.222 2.522 -3.702 1.00 0.00 ATOM 58 N ALA A 15 26.308 1.729 -4.251 1.00 0.00 ATOM 59 CA ALA A 15 26.317 0.301 -3.964 1.00 0.00 ATOM 60 CB ALA A 15 25.215 -0.048 -2.976 1.00 0.00 ATOM 61 O ALA A 15 26.810 -0.103 -6.155 1.00 0.00 ATOM 62 C ALA A 15 26.092 -0.515 -5.244 1.00 0.00 ATOM 63 N CYS A 16 26.166 -1.805 -4.927 1.00 0.00 ATOM 64 CA CYS A 16 27.139 -2.765 -5.459 1.00 0.00 ATOM 65 CB CYS A 16 27.127 -4.053 -4.634 1.00 0.00 ATOM 66 SG CYS A 16 25.584 -4.991 -4.736 1.00 0.00 ATOM 67 O CYS A 16 27.871 -4.118 -7.268 1.00 0.00 ATOM 68 C CYS A 16 27.033 -3.286 -6.903 1.00 0.00 ATOM 69 N ASP A 17 25.878 -3.173 -7.547 1.00 0.00 ATOM 70 CA ASP A 17 25.502 -4.083 -8.648 1.00 0.00 ATOM 71 CB ASP A 17 26.030 -3.555 -9.983 1.00 0.00 ATOM 72 CG ASP A 17 27.545 -3.495 -10.028 1.00 0.00 ATOM 73 OD1 ASP A 17 28.186 -3.956 -9.060 1.00 0.00 ATOM 74 OD2 ASP A 17 28.090 -2.988 -11.031 1.00 0.00 ATOM 75 O ASP A 17 25.784 -6.104 -7.451 1.00 0.00 ATOM 76 C ASP A 17 26.044 -5.510 -8.501 1.00 0.00 ATOM 77 N THR A 18 26.093 -6.202 -9.646 1.00 0.00 ATOM 78 CA THR A 18 25.860 -7.651 -9.714 1.00 0.00 ATOM 79 CB THR A 18 25.175 -8.051 -11.034 1.00 0.00 ATOM 80 CG2 THR A 18 23.839 -7.339 -11.178 1.00 0.00 ATOM 81 OG1 THR A 18 26.014 -7.691 -12.139 1.00 0.00 ATOM 82 O THR A 18 27.198 -9.635 -9.510 1.00 0.00 ATOM 83 C THR A 18 27.192 -8.404 -9.621 1.00 0.00 ATOM 84 N SER A 19 28.305 -7.681 -9.477 1.00 0.00 ATOM 85 CA SER A 19 29.576 -8.288 -9.062 1.00 0.00 ATOM 86 CB SER A 19 30.744 -7.658 -9.823 1.00 0.00 ATOM 87 OG SER A 19 30.874 -6.282 -9.510 1.00 0.00 ATOM 88 O SER A 19 30.947 -8.755 -7.171 1.00 0.00 ATOM 89 C SER A 19 29.949 -8.163 -7.588 1.00 0.00 ATOM 90 N ASN A 20 29.164 -7.462 -6.779 1.00 0.00 ATOM 91 CA ASN A 20 29.472 -7.361 -5.354 1.00 0.00 ATOM 92 CB ASN A 20 29.717 -8.749 -4.759 1.00 0.00 ATOM 93 CG ASN A 20 29.792 -8.729 -3.245 1.00 0.00 ATOM 94 ND2 ASN A 20 29.623 -9.894 -2.630 1.00 0.00 ATOM 95 OD1 ASN A 20 29.999 -7.679 -2.638 1.00 0.00 ATOM 96 O ASN A 20 31.746 -6.920 -4.653 1.00 0.00 ATOM 97 C ASN A 20 30.740 -6.497 -5.220 1.00 0.00 ATOM 98 N ASP A 21 30.620 -5.201 -5.490 1.00 0.00 ATOM 99 CA ASP A 21 31.609 -4.228 -5.020 1.00 0.00 ATOM 100 CB ASP A 21 32.176 -3.430 -6.196 1.00 0.00 ATOM 101 CG ASP A 21 33.216 -2.415 -5.763 1.00 0.00 ATOM 102 OD1 ASP A 21 34.200 -2.815 -5.106 1.00 0.00 ATOM 103 OD2 ASP A 21 33.047 -1.219 -6.081 1.00 0.00 ATOM 104 O ASP A 21 30.209 -2.368 -4.467 1.00 0.00 ATOM 105 C ASP A 21 30.925 -3.276 -4.042 1.00 0.00 ATOM 106 N ASN A 22 31.413 -3.267 -2.809 1.00 0.00 ATOM 107 CA ASN A 22 31.106 -2.220 -1.836 1.00 0.00 ATOM 108 CB ASN A 22 30.885 -0.881 -2.542 1.00 0.00 ATOM 109 CG ASN A 22 32.153 -0.340 -3.174 1.00 0.00 ATOM 110 ND2 ASN A 22 31.998 0.399 -4.267 1.00 0.00 ATOM 111 OD1 ASN A 22 33.255 -0.584 -2.685 1.00 0.00 ATOM 112 O ASN A 22 29.747 -1.976 0.117 1.00 0.00 ATOM 113 C ASN A 22 29.846 -2.482 -1.001 1.00 0.00 ATOM 114 N PHE A 23 29.139 -3.548 -1.352 1.00 0.00 ATOM 115 CA PHE A 23 28.199 -4.280 -0.495 1.00 0.00 ATOM 116 CB PHE A 23 26.859 -3.546 -0.420 1.00 0.00 ATOM 117 CG PHE A 23 26.168 -3.409 -1.747 1.00 0.00 ATOM 118 CD1 PHE A 23 25.248 -4.355 -2.165 1.00 0.00 ATOM 119 CD2 PHE A 23 26.437 -2.334 -2.576 1.00 0.00 ATOM 120 CE1 PHE A 23 24.612 -4.230 -3.386 1.00 0.00 ATOM 121 CE2 PHE A 23 25.801 -2.209 -3.797 1.00 0.00 ATOM 122 CZ PHE A 23 24.892 -3.151 -4.203 1.00 0.00 ATOM 123 O PHE A 23 28.400 -5.701 -2.374 1.00 0.00 ATOM 124 C PHE A 23 28.080 -5.628 -1.196 1.00 0.00 ATOM 125 N PRO A 24 27.513 -6.681 -0.638 1.00 0.00 ATOM 126 CA PRO A 24 27.309 -7.844 -1.502 1.00 0.00 ATOM 127 CB PRO A 24 27.020 -8.985 -0.525 1.00 0.00 ATOM 128 CG PRO A 24 26.326 -8.328 0.621 1.00 0.00 ATOM 129 CD PRO A 24 26.980 -6.986 0.791 1.00 0.00 ATOM 130 O PRO A 24 25.316 -6.866 -2.426 1.00 0.00 ATOM 131 C PRO A 24 26.169 -7.750 -2.509 1.00 0.00 ATOM 132 N LEU A 25 26.077 -8.799 -3.317 1.00 0.00 ATOM 133 CA LEU A 25 24.985 -9.024 -4.260 1.00 0.00 ATOM 134 CB LEU A 25 25.284 -10.235 -5.147 1.00 0.00 ATOM 135 CG LEU A 25 24.264 -10.537 -6.247 1.00 0.00 ATOM 136 CD1 LEU A 25 24.240 -9.420 -7.279 1.00 0.00 ATOM 137 CD2 LEU A 25 24.611 -11.835 -6.959 1.00 0.00 ATOM 138 O LEU A 25 23.678 -10.040 -2.545 1.00 0.00 ATOM 139 C LEU A 25 23.674 -9.284 -3.519 1.00 0.00 ATOM 140 N GLN A 26 22.554 -8.675 -3.912 1.00 0.00 ATOM 141 CA GLN A 26 21.327 -8.938 -3.157 1.00 0.00 ATOM 142 CB GLN A 26 20.779 -7.642 -2.556 1.00 0.00 ATOM 143 CG GLN A 26 21.714 -6.976 -1.560 1.00 0.00 ATOM 144 CD GLN A 26 21.197 -5.633 -1.083 1.00 0.00 ATOM 145 OE1 GLN A 26 20.192 -5.130 -1.586 1.00 0.00 ATOM 146 NE2 GLN A 26 21.883 -5.048 -0.108 1.00 0.00 ATOM 147 O GLN A 26 19.090 -9.597 -3.455 1.00 0.00 ATOM 148 C GLN A 26 20.199 -9.543 -3.999 1.00 0.00 ATOM 149 N TYR A 27 20.607 -10.388 -4.963 1.00 0.00 ATOM 150 CA TYR A 27 19.843 -11.462 -5.645 1.00 0.00 ATOM 151 CB TYR A 27 20.526 -12.816 -5.443 1.00 0.00 ATOM 152 CG TYR A 27 19.814 -13.968 -6.116 1.00 0.00 ATOM 153 CD1 TYR A 27 19.930 -14.172 -7.485 1.00 0.00 ATOM 154 CD2 TYR A 27 19.028 -14.846 -5.381 1.00 0.00 ATOM 155 CE1 TYR A 27 19.283 -15.222 -8.109 1.00 0.00 ATOM 156 CE2 TYR A 27 18.374 -15.901 -5.988 1.00 0.00 ATOM 157 CZ TYR A 27 18.507 -16.084 -7.364 1.00 0.00 ATOM 158 OH TYR A 27 17.862 -17.130 -7.983 1.00 0.00 ATOM 159 O TYR A 27 17.520 -10.834 -5.437 1.00 0.00 ATOM 160 C TYR A 27 18.385 -11.688 -5.201 1.00 0.00 ATOM 161 N ASP A 28 18.202 -12.657 -4.305 1.00 0.00 ATOM 162 CA ASP A 28 17.034 -12.710 -3.428 1.00 0.00 ATOM 163 CB ASP A 28 16.308 -14.048 -3.582 1.00 0.00 ATOM 164 CG ASP A 28 15.054 -14.132 -2.735 1.00 0.00 ATOM 165 OD1 ASP A 28 14.802 -13.191 -1.953 1.00 0.00 ATOM 166 OD2 ASP A 28 14.323 -15.137 -2.854 1.00 0.00 ATOM 167 O ASP A 28 18.033 -13.522 -1.419 1.00 0.00 ATOM 168 C ASP A 28 17.597 -12.544 -2.025 1.00 0.00 ATOM 169 N GLY A 29 17.490 -11.350 -1.455 1.00 0.00 ATOM 170 CA GLY A 29 17.917 -11.184 -0.075 1.00 0.00 ATOM 171 O GLY A 29 16.836 -10.853 2.006 1.00 0.00 ATOM 172 C GLY A 29 16.690 -10.820 0.782 1.00 0.00 ATOM 173 N SER A 30 15.486 -11.124 0.245 1.00 0.00 ATOM 174 CA SER A 30 14.326 -11.608 1.026 1.00 0.00 ATOM 175 CB SER A 30 13.018 -11.281 0.302 1.00 0.00 ATOM 176 OG SER A 30 12.905 -12.016 -0.904 1.00 0.00 ATOM 177 O SER A 30 15.559 -13.591 0.683 1.00 0.00 ATOM 178 C SER A 30 14.518 -13.128 1.152 1.00 0.00 ATOM 179 N LYS A 31 13.896 -13.753 2.154 1.00 0.00 ATOM 180 CA LYS A 31 14.435 -14.942 2.838 1.00 0.00 ATOM 181 CB LYS A 31 13.499 -16.138 2.651 1.00 0.00 ATOM 182 CG LYS A 31 13.944 -17.394 3.381 1.00 0.00 ATOM 183 CD LYS A 31 12.936 -18.519 3.211 1.00 0.00 ATOM 184 CE LYS A 31 13.387 -19.779 3.931 1.00 0.00 ATOM 185 NZ LYS A 31 12.407 -20.889 3.775 1.00 0.00 ATOM 186 O LYS A 31 15.986 -16.578 2.061 1.00 0.00 ATOM 187 C LYS A 31 15.820 -15.386 2.331 1.00 0.00 ATOM 188 N CYS A 32 16.859 -14.624 2.702 1.00 0.00 ATOM 189 CA CYS A 32 18.232 -15.124 2.902 1.00 0.00 ATOM 190 CB CYS A 32 19.169 -14.560 1.832 1.00 0.00 ATOM 191 SG CYS A 32 18.672 -14.932 0.133 1.00 0.00 ATOM 192 O CYS A 32 18.090 -14.035 5.036 1.00 0.00 ATOM 193 C CYS A 32 18.781 -14.716 4.272 1.00 0.00 ATOM 194 N GLN A 33 19.870 -15.363 4.676 1.00 0.00 ATOM 195 CA GLN A 33 20.391 -15.303 6.046 1.00 0.00 ATOM 196 CB GLN A 33 21.095 -16.612 6.409 1.00 0.00 ATOM 197 CG GLN A 33 20.202 -17.839 6.331 1.00 0.00 ATOM 198 CD GLN A 33 19.034 -17.772 7.295 1.00 0.00 ATOM 199 OE1 GLN A 33 19.216 -17.549 8.492 1.00 0.00 ATOM 200 NE2 GLN A 33 17.827 -17.966 6.776 1.00 0.00 ATOM 201 O GLN A 33 21.518 -13.385 5.230 1.00 0.00 ATOM 202 C GLN A 33 21.411 -14.142 6.192 1.00 0.00 ATOM 203 N LEU A 34 21.692 -13.649 7.417 1.00 0.00 ATOM 204 CA LEU A 34 22.071 -12.241 7.636 1.00 0.00 ATOM 205 CB LEU A 34 21.717 -11.806 9.060 1.00 0.00 ATOM 206 CG LEU A 34 20.233 -11.841 9.430 1.00 0.00 ATOM 207 CD1 LEU A 34 20.037 -11.484 10.896 1.00 0.00 ATOM 208 CD2 LEU A 34 19.446 -10.849 8.589 1.00 0.00 ATOM 209 O LEU A 34 23.780 -10.740 7.060 1.00 0.00 ATOM 210 C LEU A 34 23.564 -11.880 7.469 1.00 0.00 ATOM 211 N VAL A 35 24.455 -12.830 7.171 1.00 0.00 ATOM 212 CA VAL A 35 25.611 -12.575 6.289 1.00 0.00 ATOM 213 CB VAL A 35 26.927 -12.517 7.086 1.00 0.00 ATOM 214 CG1 VAL A 35 28.102 -12.253 6.157 1.00 0.00 ATOM 215 CG2 VAL A 35 26.874 -11.403 8.121 1.00 0.00 ATOM 216 O VAL A 35 25.737 -14.891 5.750 1.00 0.00 ATOM 217 C VAL A 35 25.635 -13.748 5.294 1.00 0.00 ATOM 218 N GLN A 36 25.124 -13.562 4.075 1.00 0.00 ATOM 219 CA GLN A 36 24.625 -14.731 3.335 1.00 0.00 ATOM 220 CB GLN A 36 23.201 -14.480 2.834 1.00 0.00 ATOM 221 CG GLN A 36 23.102 -13.417 1.752 1.00 0.00 ATOM 222 CD GLN A 36 21.671 -13.143 1.334 1.00 0.00 ATOM 223 OE1 GLN A 36 20.741 -13.802 1.799 1.00 0.00 ATOM 224 NE2 GLN A 36 21.490 -12.166 0.453 1.00 0.00 ATOM 225 O GLN A 36 25.028 -15.951 1.312 1.00 0.00 ATOM 226 C GLN A 36 25.462 -15.107 2.094 1.00 0.00 ATOM 227 N ASP A 37 26.456 -14.310 1.713 1.00 0.00 ATOM 228 CA ASP A 37 26.978 -14.360 0.335 1.00 0.00 ATOM 229 CB ASP A 37 26.830 -12.997 -0.344 1.00 0.00 ATOM 230 CG ASP A 37 25.381 -12.578 -0.500 1.00 0.00 ATOM 231 OD1 ASP A 37 24.604 -13.344 -1.108 1.00 0.00 ATOM 232 OD2 ASP A 37 25.023 -11.484 -0.015 1.00 0.00 ATOM 233 O ASP A 37 29.008 -14.617 1.452 1.00 0.00 ATOM 234 C ASP A 37 28.474 -14.745 0.348 1.00 0.00 ATOM 235 N GLU A 38 28.860 -15.802 -0.403 1.00 0.00 ATOM 236 CA GLU A 38 29.778 -16.847 0.107 1.00 0.00 ATOM 237 CB GLU A 38 29.353 -18.227 -0.399 1.00 0.00 ATOM 238 CG GLU A 38 28.001 -18.689 0.118 1.00 0.00 ATOM 239 CD GLU A 38 27.614 -20.058 -0.404 1.00 0.00 ATOM 240 OE1 GLU A 38 28.410 -20.652 -1.161 1.00 0.00 ATOM 241 OE2 GLU A 38 26.514 -20.538 -0.056 1.00 0.00 ATOM 242 O GLU A 38 32.109 -17.003 0.449 1.00 0.00 ATOM 243 C GLU A 38 31.239 -16.624 -0.339 1.00 0.00 ATOM 244 N SER A 39 31.496 -15.547 -1.102 1.00 0.00 ATOM 245 CA SER A 39 32.731 -14.749 -0.946 1.00 0.00 ATOM 246 CB SER A 39 33.658 -14.957 -2.145 1.00 0.00 ATOM 247 OG SER A 39 34.855 -14.211 -2.000 1.00 0.00 ATOM 248 O SER A 39 32.681 -12.507 -1.783 1.00 0.00 ATOM 249 C SER A 39 32.399 -13.257 -0.845 1.00 0.00 ATOM 250 N ILE A 40 32.121 -12.790 0.372 1.00 0.00 ATOM 251 CA ILE A 40 32.137 -11.364 0.721 1.00 0.00 ATOM 252 CB ILE A 40 30.720 -10.760 0.694 1.00 0.00 ATOM 253 CG1 ILE A 40 30.780 -9.250 0.931 1.00 0.00 ATOM 254 CG2 ILE A 40 29.854 -11.385 1.777 1.00 0.00 ATOM 255 CD1 ILE A 40 29.480 -8.534 0.637 1.00 0.00 ATOM 256 O ILE A 40 32.218 -11.986 3.020 1.00 0.00 ATOM 257 C ILE A 40 32.723 -11.287 2.137 1.00 0.00 ATOM 258 N GLU A 41 33.607 -10.337 2.445 1.00 0.00 ATOM 259 CA GLU A 41 33.909 -10.132 3.868 1.00 0.00 ATOM 260 CB GLU A 41 35.251 -9.416 4.033 1.00 0.00 ATOM 261 CG GLU A 41 35.705 -9.275 5.477 1.00 0.00 ATOM 262 CD GLU A 41 36.968 -8.446 5.612 1.00 0.00 ATOM 263 OE1 GLU A 41 37.535 -8.054 4.570 1.00 0.00 ATOM 264 OE2 GLU A 41 37.390 -8.189 6.759 1.00 0.00 ATOM 265 O GLU A 41 33.019 -8.085 4.752 1.00 0.00 ATOM 266 C GLU A 41 32.777 -9.266 4.484 1.00 0.00 ATOM 267 N PHE A 42 31.912 -9.948 5.247 1.00 0.00 ATOM 268 CA PHE A 42 31.271 -9.430 6.472 1.00 0.00 ATOM 269 CB PHE A 42 30.386 -10.504 7.109 1.00 0.00 ATOM 270 CG PHE A 42 29.141 -10.806 6.325 1.00 0.00 ATOM 271 CD1 PHE A 42 28.785 -10.029 5.237 1.00 0.00 ATOM 272 CD2 PHE A 42 28.325 -11.867 6.677 1.00 0.00 ATOM 273 CE1 PHE A 42 27.639 -10.307 4.516 1.00 0.00 ATOM 274 CE2 PHE A 42 27.179 -12.145 5.957 1.00 0.00 ATOM 275 CZ PHE A 42 26.835 -11.370 4.880 1.00 0.00 ATOM 276 O PHE A 42 33.398 -9.649 7.531 1.00 0.00 ATOM 277 C PHE A 42 32.341 -9.018 7.468 1.00 0.00 ATOM 278 N ASN A 43 32.177 -7.890 8.115 1.00 0.00 ATOM 279 CA ASN A 43 33.219 -7.362 8.980 1.00 0.00 ATOM 280 CB ASN A 43 33.091 -5.843 9.107 1.00 0.00 ATOM 281 CG ASN A 43 33.342 -5.125 7.796 1.00 0.00 ATOM 282 ND2 ASN A 43 32.316 -4.455 7.283 1.00 0.00 ATOM 283 OD1 ASN A 43 34.446 -5.173 7.252 1.00 0.00 ATOM 284 O ASN A 43 32.201 -8.836 10.506 1.00 0.00 ATOM 285 C ASN A 43 33.079 -7.998 10.359 1.00 0.00 ATOM 286 N PRO A 44 33.641 -7.451 11.437 1.00 0.00 ATOM 287 CA PRO A 44 33.174 -7.871 12.760 1.00 0.00 ATOM 288 CB PRO A 44 34.031 -7.057 13.731 1.00 0.00 ATOM 289 CG PRO A 44 35.284 -6.769 12.972 1.00 0.00 ATOM 290 CD PRO A 44 34.864 -6.543 11.547 1.00 0.00 ATOM 291 O PRO A 44 31.034 -7.883 13.900 1.00 0.00 ATOM 292 C PRO A 44 31.687 -7.554 12.903 1.00 0.00 ATOM 293 N GLU A 45 31.304 -6.553 12.143 1.00 0.00 ATOM 294 CA GLU A 45 30.071 -5.825 12.336 1.00 0.00 ATOM 295 CB GLU A 45 30.223 -4.378 11.862 1.00 0.00 ATOM 296 CG GLU A 45 31.184 -3.549 12.699 1.00 0.00 ATOM 297 CD GLU A 45 32.634 -3.777 12.318 1.00 0.00 ATOM 298 OE1 GLU A 45 32.881 -4.473 11.311 1.00 0.00 ATOM 299 OE2 GLU A 45 33.522 -3.259 13.027 1.00 0.00 ATOM 300 O GLU A 45 27.941 -7.025 12.124 1.00 0.00 ATOM 301 C GLU A 45 28.879 -6.431 11.562 1.00 0.00 ATOM 302 N PHE A 46 29.166 -6.782 10.330 1.00 0.00 ATOM 303 CA PHE A 46 28.450 -7.872 9.693 1.00 0.00 ATOM 304 CB PHE A 46 28.840 -7.979 8.217 1.00 0.00 ATOM 305 CG PHE A 46 28.296 -6.868 7.365 1.00 0.00 ATOM 306 CD1 PHE A 46 29.099 -5.803 6.996 1.00 0.00 ATOM 307 CD2 PHE A 46 26.982 -6.889 6.931 1.00 0.00 ATOM 308 CE1 PHE A 46 28.599 -4.781 6.212 1.00 0.00 ATOM 309 CE2 PHE A 46 26.482 -5.866 6.147 1.00 0.00 ATOM 310 CZ PHE A 46 27.284 -4.816 5.787 1.00 0.00 ATOM 311 O PHE A 46 27.943 -10.106 10.380 1.00 0.00 ATOM 312 C PHE A 46 28.770 -9.221 10.372 1.00 0.00 ATOM 313 N LEU A 47 29.793 -9.350 11.208 1.00 0.00 ATOM 314 CA LEU A 47 29.769 -10.468 12.168 1.00 0.00 ATOM 315 CB LEU A 47 31.090 -10.543 12.936 1.00 0.00 ATOM 316 CG LEU A 47 31.219 -11.679 13.953 1.00 0.00 ATOM 317 CD1 LEU A 47 31.092 -13.031 13.267 1.00 0.00 ATOM 318 CD2 LEU A 47 32.570 -11.625 14.650 1.00 0.00 ATOM 319 O LEU A 47 27.947 -11.276 13.472 1.00 0.00 ATOM 320 C LEU A 47 28.643 -10.313 13.190 1.00 0.00 ATOM 321 N LEU A 48 28.367 -9.116 13.683 1.00 0.00 ATOM 322 CA LEU A 48 27.154 -8.975 14.495 1.00 0.00 ATOM 323 CB LEU A 48 26.972 -7.522 14.938 1.00 0.00 ATOM 324 CG LEU A 48 27.991 -6.988 15.946 1.00 0.00 ATOM 325 CD1 LEU A 48 27.795 -5.496 16.170 1.00 0.00 ATOM 326 CD2 LEU A 48 27.843 -7.693 17.286 1.00 0.00 ATOM 327 O LEU A 48 25.165 -10.277 14.047 1.00 0.00 ATOM 328 C LEU A 48 25.947 -9.414 13.627 1.00 0.00 ATOM 329 N ASN A 49 25.993 -9.147 12.308 1.00 0.00 ATOM 330 CA ASN A 49 25.047 -9.838 11.379 1.00 0.00 ATOM 331 CB ASN A 49 25.251 -9.348 9.944 1.00 0.00 ATOM 332 CG ASN A 49 24.630 -7.987 9.700 1.00 0.00 ATOM 333 ND2 ASN A 49 25.468 -6.999 9.405 1.00 0.00 ATOM 334 OD1 ASN A 49 23.412 -7.827 9.776 1.00 0.00 ATOM 335 O ASN A 49 24.253 -12.115 11.263 1.00 0.00 ATOM 336 C ASN A 49 25.241 -11.384 11.376 1.00 0.00 ATOM 337 N ILE A 50 26.466 -11.918 11.457 1.00 0.00 ATOM 338 CA ILE A 50 26.736 -13.374 11.422 1.00 0.00 ATOM 339 CB ILE A 50 28.228 -13.666 11.173 1.00 0.00 ATOM 340 CG1 ILE A 50 28.623 -13.249 9.755 1.00 0.00 ATOM 341 CG2 ILE A 50 28.514 -15.150 11.336 1.00 0.00 ATOM 342 CD1 ILE A 50 30.116 -13.256 9.511 1.00 0.00 ATOM 343 O ILE A 50 25.841 -15.190 12.715 1.00 0.00 ATOM 344 C ILE A 50 26.363 -14.079 12.730 1.00 0.00 ATOM 345 N VAL A 51 26.447 -13.353 13.835 1.00 0.00 ATOM 346 CA VAL A 51 25.841 -13.764 15.101 1.00 0.00 ATOM 347 CB VAL A 51 26.117 -12.740 16.218 1.00 0.00 ATOM 348 CG1 VAL A 51 25.316 -13.083 17.465 1.00 0.00 ATOM 349 CG2 VAL A 51 27.594 -12.733 16.581 1.00 0.00 ATOM 350 O VAL A 51 23.663 -14.736 15.403 1.00 0.00 ATOM 351 C VAL A 51 24.337 -13.869 14.846 1.00 0.00 ATOM 352 N ASP A 52 23.803 -12.868 14.151 1.00 0.00 ATOM 353 CA ASP A 52 22.356 -12.708 13.973 1.00 0.00 ATOM 354 CB ASP A 52 22.043 -11.363 13.315 1.00 0.00 ATOM 355 CG ASP A 52 22.235 -10.193 14.260 1.00 0.00 ATOM 356 OD1 ASP A 52 22.371 -10.430 15.479 1.00 0.00 ATOM 357 OD2 ASP A 52 22.250 -9.039 13.783 1.00 0.00 ATOM 358 O ASP A 52 20.759 -13.310 12.385 1.00 0.00 ATOM 359 C ASP A 52 21.659 -13.761 13.099 1.00 0.00 ATOM 360 N ARG A 53 22.425 -14.729 12.604 1.00 0.00 ATOM 361 CA ARG A 53 22.342 -15.220 11.222 1.00 0.00 ATOM 362 CB ARG A 53 23.388 -16.309 10.977 1.00 0.00 ATOM 363 CG ARG A 53 23.141 -17.593 11.752 1.00 0.00 ATOM 364 CD ARG A 53 24.255 -18.601 11.520 1.00 0.00 ATOM 365 NE ARG A 53 24.025 -19.848 12.246 1.00 0.00 ATOM 366 CZ ARG A 53 24.873 -20.870 12.262 1.00 0.00 ATOM 367 NH1 ARG A 53 24.579 -21.965 12.950 1.00 0.00 ATOM 368 NH2 ARG A 53 26.014 -20.796 11.590 1.00 0.00 ATOM 369 O ARG A 53 20.902 -16.278 9.644 1.00 0.00 ATOM 370 C ARG A 53 21.019 -15.838 10.790 1.00 0.00 ATOM 371 N VAL A 54 19.980 -15.651 11.576 1.00 0.00 ATOM 372 CA VAL A 54 18.626 -15.888 11.099 1.00 0.00 ATOM 373 CB VAL A 54 17.632 -16.023 12.267 1.00 0.00 ATOM 374 CG1 VAL A 54 18.024 -17.183 13.169 1.00 0.00 ATOM 375 CG2 VAL A 54 17.613 -14.751 13.101 1.00 0.00 ATOM 376 O VAL A 54 18.970 -13.895 9.845 1.00 0.00 ATOM 377 C VAL A 54 18.145 -14.734 10.211 1.00 0.00 ATOM 378 N ASP A 55 17.131 -15.081 9.425 1.00 0.00 ATOM 379 CA ASP A 55 16.939 -14.591 8.059 1.00 0.00 ATOM 380 CB ASP A 55 16.251 -15.654 7.200 1.00 0.00 ATOM 381 CG ASP A 55 14.825 -15.923 7.639 1.00 0.00 ATOM 382 OD1 ASP A 55 14.281 -15.115 8.421 1.00 0.00 ATOM 383 OD2 ASP A 55 14.251 -16.943 7.201 1.00 0.00 ATOM 384 O ASP A 55 16.149 -12.507 8.883 1.00 0.00 ATOM 385 C ASP A 55 16.064 -13.306 7.947 1.00 0.00 ATOM 386 N TRP A 56 15.842 -12.819 6.696 1.00 0.00 ATOM 387 CA TRP A 56 15.811 -11.367 6.391 1.00 0.00 ATOM 388 CB TRP A 56 16.809 -11.031 5.281 1.00 0.00 ATOM 389 CG TRP A 56 18.238 -11.244 5.675 1.00 0.00 ATOM 390 CD1 TRP A 56 18.722 -11.427 6.939 1.00 0.00 ATOM 391 CD2 TRP A 56 19.372 -11.296 4.800 1.00 0.00 ATOM 392 CE2 TRP A 56 20.509 -11.513 5.603 1.00 0.00 ATOM 393 CE3 TRP A 56 19.536 -11.180 3.416 1.00 0.00 ATOM 394 NE1 TRP A 56 20.086 -11.590 6.906 1.00 0.00 ATOM 395 CZ2 TRP A 56 21.792 -11.617 5.068 1.00 0.00 ATOM 396 CZ3 TRP A 56 20.810 -11.283 2.891 1.00 0.00 ATOM 397 CH2 TRP A 56 21.922 -11.499 3.711 1.00 0.00 ATOM 398 O TRP A 56 14.675 -9.824 5.096 1.00 0.00 ATOM 399 C TRP A 56 14.483 -10.728 5.903 1.00 0.00 ATOM 400 N PRO A 57 13.399 -10.551 6.700 1.00 0.00 ATOM 401 CA PRO A 57 12.616 -9.292 6.511 1.00 0.00 ATOM 402 CB PRO A 57 11.990 -9.450 5.124 1.00 0.00 ATOM 403 CG PRO A 57 11.875 -10.925 4.932 1.00 0.00 ATOM 404 CD PRO A 57 13.070 -11.529 5.616 1.00 0.00 ATOM 405 O PRO A 57 11.701 -9.645 8.677 1.00 0.00 ATOM 406 C PRO A 57 11.535 -9.107 7.577 1.00 0.00 ATOM 407 N ALA A 58 10.655 -8.120 7.312 1.00 0.00 ATOM 408 CA ALA A 58 9.851 -7.415 8.323 1.00 0.00 ATOM 409 CB ALA A 58 9.069 -8.410 9.167 1.00 0.00 ATOM 410 O ALA A 58 10.961 -5.355 9.294 1.00 0.00 ATOM 411 C ALA A 58 10.885 -6.614 9.210 1.00 0.00 ATOM 412 N VAL A 59 11.976 -7.309 9.506 1.00 0.00 ATOM 413 CA VAL A 59 13.234 -6.696 9.909 1.00 0.00 ATOM 414 CB VAL A 59 14.245 -7.750 10.397 1.00 0.00 ATOM 415 CG1 VAL A 59 15.606 -7.114 10.631 1.00 0.00 ATOM 416 CG2 VAL A 59 13.775 -8.375 11.702 1.00 0.00 ATOM 417 O VAL A 59 14.477 -4.875 8.996 1.00 0.00 ATOM 418 C VAL A 59 13.911 -5.933 8.773 1.00 0.00 ATOM 419 N LEU A 60 13.862 -6.411 7.541 1.00 0.00 ATOM 420 CA LEU A 60 14.427 -5.617 6.457 1.00 0.00 ATOM 421 CB LEU A 60 14.231 -6.326 5.115 1.00 0.00 ATOM 422 CG LEU A 60 14.792 -5.612 3.883 1.00 0.00 ATOM 423 CD1 LEU A 60 16.299 -5.443 4.000 1.00 0.00 ATOM 424 CD2 LEU A 60 14.499 -6.409 2.621 1.00 0.00 ATOM 425 O LEU A 60 14.237 -3.236 6.306 1.00 0.00 ATOM 426 C LEU A 60 13.660 -4.304 6.513 1.00 0.00 ATOM 427 N THR A 61 12.373 -4.370 6.861 1.00 0.00 ATOM 428 CA THR A 61 11.590 -3.145 6.924 1.00 0.00 ATOM 429 CB THR A 61 10.139 -3.424 7.358 1.00 0.00 ATOM 430 CG2 THR A 61 9.353 -2.126 7.457 1.00 0.00 ATOM 431 OG1 THR A 61 9.506 -4.278 6.397 1.00 0.00 ATOM 432 O THR A 61 12.552 -1.028 7.534 1.00 0.00 ATOM 433 C THR A 61 12.173 -2.144 7.921 1.00 0.00 ATOM 434 N VAL A 62 12.503 -2.585 9.130 1.00 0.00 ATOM 435 CA VAL A 62 13.267 -1.635 9.993 1.00 0.00 ATOM 436 CB VAL A 62 13.332 -2.125 11.452 1.00 0.00 ATOM 437 CG1 VAL A 62 14.266 -1.245 12.268 1.00 0.00 ATOM 438 CG2 VAL A 62 11.952 -2.082 12.090 1.00 0.00 ATOM 439 O VAL A 62 15.244 -0.319 9.697 1.00 0.00 ATOM 440 C VAL A 62 14.719 -1.423 9.554 1.00 0.00 ATOM 441 N ALA A 63 15.440 -2.499 9.233 1.00 0.00 ATOM 442 CA ALA A 63 16.893 -2.421 9.084 1.00 0.00 ATOM 443 CB ALA A 63 17.459 -3.776 8.689 1.00 0.00 ATOM 444 O ALA A 63 18.148 -0.627 8.063 1.00 0.00 ATOM 445 C ALA A 63 17.181 -1.390 7.990 1.00 0.00 ATOM 446 N ALA A 64 16.255 -1.302 7.036 1.00 0.00 ATOM 447 CA ALA A 64 16.308 -0.334 5.937 1.00 0.00 ATOM 448 CB ALA A 64 15.355 -0.742 4.824 1.00 0.00 ATOM 449 O ALA A 64 16.356 1.991 5.618 1.00 0.00 ATOM 450 C ALA A 64 15.928 1.094 6.318 1.00 0.00 ATOM 451 N GLU A 65 15.335 1.351 7.482 1.00 0.00 ATOM 452 CA GLU A 65 15.358 2.737 7.992 1.00 0.00 ATOM 453 CB GLU A 65 14.066 3.051 8.749 1.00 0.00 ATOM 454 CG GLU A 65 12.819 3.043 7.878 1.00 0.00 ATOM 455 CD GLU A 65 11.555 3.312 8.670 1.00 0.00 ATOM 456 OE1 GLU A 65 11.649 3.470 9.905 1.00 0.00 ATOM 457 OE2 GLU A 65 10.469 3.366 8.054 1.00 0.00 ATOM 458 O GLU A 65 17.002 4.034 9.138 1.00 0.00 ATOM 459 C GLU A 65 16.538 2.929 8.943 1.00 0.00 ATOM 460 N LEU A 66 16.858 1.948 9.772 1.00 0.00 ATOM 461 CA LEU A 66 17.860 2.201 10.810 1.00 0.00 ATOM 462 CB LEU A 66 17.190 2.341 12.179 1.00 0.00 ATOM 463 CG LEU A 66 18.100 2.747 13.340 1.00 0.00 ATOM 464 CD1 LEU A 66 18.695 4.126 13.100 1.00 0.00 ATOM 465 CD2 LEU A 66 17.320 2.786 14.645 1.00 0.00 ATOM 466 O LEU A 66 18.608 0.077 11.594 1.00 0.00 ATOM 467 C LEU A 66 18.832 1.016 10.829 1.00 0.00 ATOM 468 N GLY A 67 19.864 0.984 9.986 1.00 0.00 ATOM 469 CA GLY A 67 20.680 -0.227 9.939 1.00 0.00 ATOM 470 O GLY A 67 22.714 -1.116 10.792 1.00 0.00 ATOM 471 C GLY A 67 21.925 -0.168 10.831 1.00 0.00 ATOM 472 N ASN A 68 21.858 0.615 11.917 1.00 0.00 ATOM 473 CA ASN A 68 22.634 0.376 13.151 1.00 0.00 ATOM 474 CB ASN A 68 23.582 1.546 13.423 1.00 0.00 ATOM 475 CG ASN A 68 22.846 2.847 13.672 1.00 0.00 ATOM 476 ND2 ASN A 68 23.594 3.898 13.985 1.00 0.00 ATOM 477 OD1 ASN A 68 21.619 2.904 13.584 1.00 0.00 ATOM 478 O ASN A 68 22.121 0.178 15.480 1.00 0.00 ATOM 479 C ASN A 68 21.676 0.228 14.331 1.00 0.00 ATOM 480 N ASN A 69 20.387 -0.012 14.064 1.00 0.00 ATOM 481 CA ASN A 69 19.465 -0.365 15.147 1.00 0.00 ATOM 482 CB ASN A 69 18.169 0.440 15.031 1.00 0.00 ATOM 483 CG ASN A 69 17.116 -0.005 16.027 1.00 0.00 ATOM 484 ND2 ASN A 69 16.094 -0.697 15.535 1.00 0.00 ATOM 485 OD1 ASN A 69 17.222 0.271 17.222 1.00 0.00 ATOM 486 O ASN A 69 19.042 -2.464 16.210 1.00 0.00 ATOM 487 C ASN A 69 19.078 -1.845 15.143 1.00 0.00 ATOM 488 N ALA A 70 19.028 -2.482 13.973 1.00 0.00 ATOM 489 CA ALA A 70 18.985 -3.948 13.909 1.00 0.00 ATOM 490 CB ALA A 70 18.472 -4.405 12.552 1.00 0.00 ATOM 491 O ALA A 70 20.404 -5.770 14.583 1.00 0.00 ATOM 492 C ALA A 70 20.342 -4.628 14.112 1.00 0.00 ATOM 493 N LEU A 71 21.384 -4.034 13.522 1.00 0.00 ATOM 494 CA LEU A 71 22.697 -4.673 13.377 1.00 0.00 ATOM 495 CB LEU A 71 22.981 -4.986 11.907 1.00 0.00 ATOM 496 CG LEU A 71 22.035 -5.981 11.231 1.00 0.00 ATOM 497 CD1 LEU A 71 22.314 -6.058 9.737 1.00 0.00 ATOM 498 CD2 LEU A 71 22.210 -7.373 11.819 1.00 0.00 ATOM 499 O LEU A 71 23.954 -2.645 13.299 1.00 0.00 ATOM 500 C LEU A 71 23.769 -3.698 13.917 1.00 0.00 ATOM 501 N PRO A 72 24.063 -3.732 15.232 1.00 0.00 ATOM 502 CA PRO A 72 24.582 -2.538 15.918 1.00 0.00 ATOM 503 CB PRO A 72 24.219 -2.768 17.386 1.00 0.00 ATOM 504 CG PRO A 72 24.330 -4.244 17.572 1.00 0.00 ATOM 505 CD PRO A 72 23.843 -4.863 16.293 1.00 0.00 ATOM 506 O PRO A 72 26.523 -1.361 16.573 1.00 0.00 ATOM 507 C PRO A 72 26.089 -2.246 15.837 1.00 0.00 ATOM 508 N PRO A 73 26.775 -2.555 14.730 1.00 0.00 ATOM 509 CA PRO A 73 28.012 -1.813 14.455 1.00 0.00 ATOM 510 CB PRO A 73 29.105 -2.662 15.107 1.00 0.00 ATOM 511 CG PRO A 73 28.562 -4.051 15.087 1.00 0.00 ATOM 512 CD PRO A 73 27.078 -3.921 15.289 1.00 0.00 ATOM 513 O PRO A 73 29.501 -1.605 12.709 1.00 0.00 ATOM 514 C PRO A 73 28.300 -1.630 12.975 1.00 0.00 ATOM 515 N THR A 74 27.316 -2.043 12.145 1.00 0.00 ATOM 516 CA THR A 74 27.475 -2.627 10.796 1.00 0.00 ATOM 517 CB THR A 74 26.173 -2.526 9.980 1.00 0.00 ATOM 518 CG2 THR A 74 26.354 -3.155 8.607 1.00 0.00 ATOM 519 OG1 THR A 74 25.120 -3.212 10.669 1.00 0.00 ATOM 520 O THR A 74 28.741 -0.727 10.178 1.00 0.00 ATOM 521 C THR A 74 28.562 -1.928 9.983 1.00 0.00 ATOM 522 N LYS A 75 29.113 -2.613 8.963 1.00 0.00 ATOM 523 CA LYS A 75 29.874 -1.960 7.896 1.00 0.00 ATOM 524 CB LYS A 75 31.109 -2.788 7.535 1.00 0.00 ATOM 525 CG LYS A 75 32.044 -2.109 6.547 1.00 0.00 ATOM 526 CD LYS A 75 32.637 -0.838 7.132 1.00 0.00 ATOM 527 CE LYS A 75 33.602 -1.148 8.264 1.00 0.00 ATOM 528 NZ LYS A 75 34.175 0.090 8.861 1.00 0.00 ATOM 529 O LYS A 75 28.788 -2.778 5.953 1.00 0.00 ATOM 530 C LYS A 75 29.069 -1.770 6.600 1.00 0.00 ATOM 531 N PRO A 76 28.236 -0.726 6.592 1.00 0.00 ATOM 532 CA PRO A 76 26.978 -0.687 5.864 1.00 0.00 ATOM 533 CB PRO A 76 25.914 -0.785 6.959 1.00 0.00 ATOM 534 CG PRO A 76 26.560 -0.186 8.163 1.00 0.00 ATOM 535 CD PRO A 76 28.015 -0.555 8.082 1.00 0.00 ATOM 536 O PRO A 76 25.650 0.942 4.851 1.00 0.00 ATOM 537 C PRO A 76 26.822 0.620 5.051 1.00 0.00 ATOM 538 N SER A 77 27.734 1.603 5.245 1.00 0.00 ATOM 539 CA SER A 77 27.346 3.035 5.350 1.00 0.00 ATOM 540 CB SER A 77 28.425 3.929 4.735 1.00 0.00 ATOM 541 OG SER A 77 28.081 5.298 4.853 1.00 0.00 ATOM 542 O SER A 77 26.009 3.564 3.411 1.00 0.00 ATOM 543 C SER A 77 26.031 3.290 4.614 1.00 0.00 ATOM 544 N PHE A 78 24.989 3.471 5.421 1.00 0.00 ATOM 545 CA PHE A 78 23.681 3.956 4.983 1.00 0.00 ATOM 546 CB PHE A 78 22.849 2.808 4.408 1.00 0.00 ATOM 547 CG PHE A 78 22.547 1.722 5.401 1.00 0.00 ATOM 548 CD1 PHE A 78 21.379 1.746 6.142 1.00 0.00 ATOM 549 CD2 PHE A 78 23.432 0.675 5.593 1.00 0.00 ATOM 550 CE1 PHE A 78 21.102 0.747 7.056 1.00 0.00 ATOM 551 CE2 PHE A 78 23.155 -0.325 6.506 1.00 0.00 ATOM 552 CZ PHE A 78 21.996 -0.292 7.236 1.00 0.00 ATOM 553 O PHE A 78 23.574 4.763 7.211 1.00 0.00 ATOM 554 C PHE A 78 22.927 4.567 6.180 1.00 0.00 ATOM 555 N PRO A 79 21.873 5.370 5.922 1.00 0.00 ATOM 556 CA PRO A 79 21.507 6.462 6.851 1.00 0.00 ATOM 557 CB PRO A 79 20.357 7.181 6.142 1.00 0.00 ATOM 558 CG PRO A 79 20.500 6.792 4.709 1.00 0.00 ATOM 559 CD PRO A 79 21.050 5.393 4.710 1.00 0.00 ATOM 560 O PRO A 79 20.807 4.822 8.501 1.00 0.00 ATOM 561 C PRO A 79 21.057 5.999 8.228 1.00 0.00 ATOM 562 N SER A 80 20.960 7.020 9.081 1.00 0.00 ATOM 563 CA SER A 80 20.405 6.926 10.425 1.00 0.00 ATOM 564 CB SER A 80 20.861 8.112 11.277 1.00 0.00 ATOM 565 OG SER A 80 20.260 9.317 10.837 1.00 0.00 ATOM 566 O SER A 80 18.558 6.416 9.181 1.00 0.00 ATOM 567 C SER A 80 18.901 6.937 10.226 1.00 0.00 ATOM 568 N SER A 81 18.089 6.993 11.283 1.00 0.00 ATOM 569 CA SER A 81 16.774 6.340 11.294 1.00 0.00 ATOM 570 CB SER A 81 16.116 6.483 12.668 1.00 0.00 ATOM 571 OG SER A 81 15.875 7.845 12.978 1.00 0.00 ATOM 572 O SER A 81 14.649 6.408 10.208 1.00 0.00 ATOM 573 C SER A 81 15.776 6.905 10.277 1.00 0.00 ATOM 574 N ILE A 82 16.322 7.530 9.241 1.00 0.00 ATOM 575 CA ILE A 82 15.686 7.612 7.932 1.00 0.00 ATOM 576 CB ILE A 82 15.714 9.049 7.380 1.00 0.00 ATOM 577 CG1 ILE A 82 17.157 9.536 7.232 1.00 0.00 ATOM 578 CG2 ILE A 82 14.980 9.995 8.319 1.00 0.00 ATOM 579 CD1 ILE A 82 17.290 10.822 6.446 1.00 0.00 ATOM 580 O ILE A 82 16.396 7.198 5.710 1.00 0.00 ATOM 581 C ILE A 82 16.343 6.734 6.851 1.00 0.00 ATOM 582 N GLN A 83 17.083 5.660 7.179 1.00 0.00 ATOM 583 CA GLN A 83 17.915 5.006 6.156 1.00 0.00 ATOM 584 CB GLN A 83 18.407 3.646 6.655 1.00 0.00 ATOM 585 CG GLN A 83 19.483 3.730 7.726 1.00 0.00 ATOM 586 CD GLN A 83 19.868 2.369 8.273 1.00 0.00 ATOM 587 OE1 GLN A 83 19.288 1.351 7.894 1.00 0.00 ATOM 588 NE2 GLN A 83 20.849 2.348 9.167 1.00 0.00 ATOM 589 O GLN A 83 17.572 5.268 3.835 1.00 0.00 ATOM 590 C GLN A 83 17.098 4.793 4.871 1.00 0.00 ATOM 591 N GLU A 84 15.769 4.633 5.012 1.00 0.00 ATOM 592 CA GLU A 84 14.771 5.078 4.018 1.00 0.00 ATOM 593 CB GLU A 84 14.375 3.919 3.101 1.00 0.00 ATOM 594 CG GLU A 84 15.517 3.376 2.258 1.00 0.00 ATOM 595 CD GLU A 84 15.083 2.243 1.349 1.00 0.00 ATOM 596 OE1 GLU A 84 13.898 1.852 1.411 1.00 0.00 ATOM 597 OE2 GLU A 84 15.927 1.746 0.575 1.00 0.00 ATOM 598 O GLU A 84 13.436 5.358 5.969 1.00 0.00 ATOM 599 C GLU A 84 13.528 5.586 4.762 1.00 0.00 ATOM 600 N LEU A 85 12.819 6.577 4.216 1.00 0.00 ATOM 601 CA LEU A 85 11.991 7.438 5.079 1.00 0.00 ATOM 602 CB LEU A 85 11.955 8.867 4.533 1.00 0.00 ATOM 603 CG LEU A 85 11.153 9.884 5.349 1.00 0.00 ATOM 604 CD1 LEU A 85 11.749 10.048 6.739 1.00 0.00 ATOM 605 CD2 LEU A 85 11.157 11.243 4.667 1.00 0.00 ATOM 606 O LEU A 85 9.974 7.221 6.338 1.00 0.00 ATOM 607 C LEU A 85 10.524 7.040 5.248 1.00 0.00 ATOM 608 N THR A 86 9.869 6.530 4.208 1.00 0.00 ATOM 609 CA THR A 86 8.455 6.181 4.339 1.00 0.00 ATOM 610 CB THR A 86 7.605 6.850 3.243 1.00 0.00 ATOM 611 CG2 THR A 86 7.747 8.363 3.307 1.00 0.00 ATOM 612 OG1 THR A 86 8.039 6.397 1.955 1.00 0.00 ATOM 613 O THR A 86 9.135 4.017 3.587 1.00 0.00 ATOM 614 C THR A 86 8.308 4.674 4.220 1.00 0.00 ATOM 615 N ASP A 87 7.270 4.116 4.823 1.00 0.00 ATOM 616 CA ASP A 87 7.096 2.671 4.821 1.00 0.00 ATOM 617 CB ASP A 87 5.836 2.282 5.597 1.00 0.00 ATOM 618 CG ASP A 87 6.001 2.443 7.095 1.00 0.00 ATOM 619 OD1 ASP A 87 7.150 2.628 7.549 1.00 0.00 ATOM 620 OD2 ASP A 87 4.983 2.383 7.815 1.00 0.00 ATOM 621 O ASP A 87 7.333 1.049 3.061 1.00 0.00 ATOM 622 C ASP A 87 6.966 2.180 3.386 1.00 0.00 ATOM 623 N ASP A 88 6.389 3.019 2.535 1.00 0.00 ATOM 624 CA ASP A 88 6.211 2.666 1.130 1.00 0.00 ATOM 625 CB ASP A 88 5.518 3.803 0.376 1.00 0.00 ATOM 626 CG ASP A 88 4.048 3.922 0.725 1.00 0.00 ATOM 627 OD1 ASP A 88 3.511 2.991 1.361 1.00 0.00 ATOM 628 OD2 ASP A 88 3.432 4.947 0.362 1.00 0.00 ATOM 629 O ASP A 88 7.668 1.645 -0.452 1.00 0.00 ATOM 630 C ASP A 88 7.578 2.410 0.505 1.00 0.00 ATOM 631 N ASP A 89 8.583 3.183 0.918 1.00 0.00 ATOM 632 CA ASP A 89 9.901 3.130 0.288 1.00 0.00 ATOM 633 CB ASP A 89 10.804 4.234 0.842 1.00 0.00 ATOM 634 CG ASP A 89 10.406 5.613 0.353 1.00 0.00 ATOM 635 OD1 ASP A 89 9.598 5.696 -0.596 1.00 0.00 ATOM 636 OD2 ASP A 89 10.901 6.610 0.919 1.00 0.00 ATOM 637 O ASP A 89 11.043 1.196 -0.467 1.00 0.00 ATOM 638 C ASP A 89 10.627 1.807 0.514 1.00 0.00 ATOM 639 N MET A 90 10.647 1.265 1.740 1.00 0.00 ATOM 640 CA MET A 90 11.173 -0.095 1.900 1.00 0.00 ATOM 641 CB MET A 90 11.236 -0.475 3.381 1.00 0.00 ATOM 642 CG MET A 90 12.311 0.260 4.165 1.00 0.00 ATOM 643 SD MET A 90 13.976 -0.121 3.588 1.00 0.00 ATOM 644 CE MET A 90 14.130 -1.830 4.103 1.00 0.00 ATOM 645 O MET A 90 10.720 -1.936 0.435 1.00 0.00 ATOM 646 C MET A 90 10.249 -1.064 1.167 1.00 0.00 ATOM 647 N ALA A 91 8.949 -1.010 1.485 1.00 0.00 ATOM 648 CA ALA A 91 8.016 -2.055 1.037 1.00 0.00 ATOM 649 CB ALA A 91 7.791 -3.075 2.143 1.00 0.00 ATOM 650 O ALA A 91 6.095 -2.429 -0.132 1.00 0.00 ATOM 651 C ALA A 91 6.617 -1.612 0.623 1.00 0.00 ATOM 652 N ILE A 92 5.852 -1.185 1.627 1.00 0.00 ATOM 653 CA ILE A 92 4.561 -1.852 1.802 1.00 0.00 ATOM 654 CB ILE A 92 3.743 -1.209 2.937 1.00 0.00 ATOM 655 CG1 ILE A 92 4.414 -1.462 4.288 1.00 0.00 ATOM 656 CG2 ILE A 92 2.339 -1.793 2.979 1.00 0.00 ATOM 657 CD1 ILE A 92 3.833 -0.645 5.421 1.00 0.00 ATOM 658 O ILE A 92 3.133 -2.840 0.153 1.00 0.00 ATOM 659 C ILE A 92 3.680 -1.806 0.563 1.00 0.00 ATOM 660 N LEU A 93 3.467 -0.634 -0.003 1.00 0.00 ATOM 661 CA LEU A 93 2.531 -0.641 -1.113 1.00 0.00 ATOM 662 CB LEU A 93 2.064 0.781 -1.429 1.00 0.00 ATOM 663 CG LEU A 93 1.224 1.474 -0.355 1.00 0.00 ATOM 664 CD1 LEU A 93 0.959 2.924 -0.730 1.00 0.00 ATOM 665 CD2 LEU A 93 -0.116 0.774 -0.186 1.00 0.00 ATOM 666 O LEU A 93 2.574 -1.805 -3.203 1.00 0.00 ATOM 667 C LEU A 93 3.227 -1.227 -2.333 1.00 0.00 ATOM 668 N ASN A 94 4.419 -0.693 -2.587 1.00 0.00 ATOM 669 CA ASN A 94 4.961 -0.733 -3.941 1.00 0.00 ATOM 670 CB ASN A 94 5.254 0.682 -4.443 1.00 0.00 ATOM 671 CG ASN A 94 4.003 1.531 -4.556 1.00 0.00 ATOM 672 ND2 ASN A 94 3.898 2.546 -3.706 1.00 0.00 ATOM 673 OD1 ASN A 94 3.142 1.275 -5.398 1.00 0.00 ATOM 674 O ASN A 94 6.632 -1.713 -5.244 1.00 0.00 ATOM 675 C ASN A 94 6.267 -1.515 -4.084 1.00 0.00 ATOM 676 N ASP A 95 7.181 -1.178 -3.180 1.00 0.00 ATOM 677 CA ASP A 95 8.555 -0.933 -3.624 1.00 0.00 ATOM 678 CB ASP A 95 9.121 0.318 -2.949 1.00 0.00 ATOM 679 CG ASP A 95 8.507 1.597 -3.482 1.00 0.00 ATOM 680 OD1 ASP A 95 7.825 1.538 -4.526 1.00 0.00 ATOM 681 OD2 ASP A 95 8.707 2.658 -2.855 1.00 0.00 ATOM 682 O ASP A 95 9.725 -2.932 -4.163 1.00 0.00 ATOM 683 C ASP A 95 9.559 -2.037 -3.337 1.00 0.00 ATOM 684 N LEU A 96 10.558 -1.579 -2.588 1.00 0.00 ATOM 685 CA LEU A 96 11.930 -2.034 -2.774 1.00 0.00 ATOM 686 CB LEU A 96 12.870 -1.313 -1.806 1.00 0.00 ATOM 687 CG LEU A 96 14.352 -1.680 -1.900 1.00 0.00 ATOM 688 CD1 LEU A 96 14.903 -1.343 -3.277 1.00 0.00 ATOM 689 CD2 LEU A 96 15.162 -0.915 -0.864 1.00 0.00 ATOM 690 O LEU A 96 12.519 -4.359 -3.342 1.00 0.00 ATOM 691 C LEU A 96 12.022 -3.555 -2.513 1.00 0.00 ATOM 692 N HIS A 97 11.369 -3.964 -1.422 1.00 0.00 ATOM 693 CA HIS A 97 11.264 -5.371 -1.053 1.00 0.00 ATOM 694 CB HIS A 97 10.441 -5.529 0.227 1.00 0.00 ATOM 695 CG HIS A 97 10.238 -6.953 0.643 1.00 0.00 ATOM 696 CD2 HIS A 97 9.128 -7.894 0.617 1.00 0.00 ATOM 697 ND1 HIS A 97 11.240 -7.714 1.206 1.00 0.00 ATOM 698 CE1 HIS A 97 10.760 -8.942 1.471 1.00 0.00 ATOM 699 NE2 HIS A 97 9.494 -9.057 1.120 1.00 0.00 ATOM 700 O HIS A 97 11.110 -7.170 -2.723 1.00 0.00 ATOM 701 C HIS A 97 10.578 -6.161 -2.180 1.00 0.00 ATOM 702 N THR A 98 9.459 -5.576 -2.617 1.00 0.00 ATOM 703 CA THR A 98 8.664 -6.126 -3.707 1.00 0.00 ATOM 704 CB THR A 98 7.492 -5.197 -4.075 1.00 0.00 ATOM 705 CG2 THR A 98 6.702 -5.773 -5.240 1.00 0.00 ATOM 706 OG1 THR A 98 6.619 -5.054 -2.948 1.00 0.00 ATOM 707 O THR A 98 9.477 -7.287 -5.643 1.00 0.00 ATOM 708 C THR A 98 9.576 -6.291 -4.924 1.00 0.00 ATOM 709 N LEU A 99 10.417 -5.297 -5.196 1.00 0.00 ATOM 710 CA LEU A 99 11.301 -5.333 -6.362 1.00 0.00 ATOM 711 CB LEU A 99 11.970 -3.973 -6.570 1.00 0.00 ATOM 712 CG LEU A 99 11.058 -2.833 -7.029 1.00 0.00 ATOM 713 CD1 LEU A 99 11.805 -1.508 -7.013 1.00 0.00 ATOM 714 CD2 LEU A 99 10.559 -3.080 -8.444 1.00 0.00 ATOM 715 O LEU A 99 12.601 -7.104 -7.266 1.00 0.00 ATOM 716 C LEU A 99 12.444 -6.340 -6.314 1.00 0.00 ATOM 717 N LEU A 100 13.231 -6.412 -5.236 1.00 0.00 ATOM 718 CA LEU A 100 14.254 -7.480 -5.235 1.00 0.00 ATOM 719 CB LEU A 100 15.102 -7.409 -3.963 1.00 0.00 ATOM 720 CG LEU A 100 16.044 -6.209 -3.843 1.00 0.00 ATOM 721 CD1 LEU A 100 16.685 -6.166 -2.464 1.00 0.00 ATOM 722 CD2 LEU A 100 17.153 -6.290 -4.881 1.00 0.00 ATOM 723 O LEU A 100 14.152 -9.740 -5.950 1.00 0.00 ATOM 724 C LEU A 100 13.602 -8.851 -5.297 1.00 0.00 ATOM 725 N LEU 101 12.493 -9.092 -4.591 1.00 0.00 ATOM 726 CA LEU 101 11.983 -10.467 -4.633 1.00 0.00 ENDMDL